rel-(6R,7R,7aS)-2-(2-ethoxy-2-oxoethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
rel-(6R,7R,7aS)-2-(2-ethoxy-2-oxoethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
rel-(6R,7R,7aS)-2-(2-ethoxy-2-oxoethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | C428-0001 |
| Compound Name: | rel-(6R,7R,7aS)-2-(2-ethoxy-2-oxoethyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 281.26 |
| Molecular Formula: | C13 H15 N O6 |
| Smiles: | CCOC(CN1C[C@@]23C=C[C@@H]([C@@H](C(O)=O)[C@H]2C1=O)O3)=O |
| Stereo: | RELATIVE |
| logP: | -0.1575 |
| logD: | -2.3789 |
| logSw: | -0.2794 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.386 |
| InChI Key: | HLRQJAXOZIIORA-GWESGZDDSA-N |